CAS RN: 874459-69-5
(3-(N-(tert-butyl)sulfaMoyl)-4-Methoxyphenyl)boronic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS874459-69-5
- Purity/Analytical Methods: >99.0%
874459-69-5 / [3-(tert-butylsulfamoyl)-4-methoxyphenyl]boronic acid
Basic Information
CAS
874459-69-5
Multi CAS
No
Molecular Formula
BC11H18NO5S
Molecular Weight
287.150000
Exact Mass
287.099874
InChI
InChI=1S/C11H18BNO5S/c1-11(2,3)13-19(16,17)10-7-8(12(14)15)5-6-9(10)18-4/h5-7,13-15H,1-4H3
InChIKey
LLWKYPQKXDZYMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
72.89
TPSA
95.86
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.47
XLogP3
-0.55
Consensus LogP
-0.52
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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